(Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one

C17H23ClN4O2 — CID 171499135

IUPAC(Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(N)N/C=C(\N)c1cccc(Cl)c1.C=CC(=O)N1CCOCC1
InChIInChI=1S/C10H12ClN3.C7H11NO2/c1-7(12)14-6-10(13)8-3-2-4-9(11)5-8;1-2-7(9)8-3-5-10-6-4-8/h2-6,14H,1,12-13H2;2H,1,3-6H2/b10-6-;
InChIKeyWVOBPNMHPMBXMD-OTUCAILMSA-N
MW350.85 g/mol
LogP1.65
Rot. Bonds4

About (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one

(Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one (PubChem CID 171499135) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one
PubChem CID171499135
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one
SMILESC=C(N)N/C=C(\N)c1cccc(Cl)c1.C=CC(=O)N1CCOCC1
InChIInChI=1S/C10H12ClN3.C7H11NO2/c1-7(12)14-6-10(13)8-3-2-4-9(11)5-8;1-2-7(9)8-3-5-10-6-4-8/h2-6,14H,1,12-13H2;2H,1,3-6H2/b10-6-;
InChIKeyWVOBPNMHPMBXMD-OTUCAILMSA-N
XLogP1.65
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one (CID 171499135) is (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one is C=C(N)N/C=C(\N)c1cccc(Cl)c1.C=CC(=O)N1CCOCC1.
What is the InChIKey of (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is WVOBPNMHPMBXMD-OTUCAILMSA-N. The full InChI is InChI=1S/C10H12ClN3.C7H11NO2/c1-7(12)14-6-10(13)8-3-2-4-9(11)5-8;1-2-7(9)8-3-5-10-6-4-8/h2-6,14H,1,12-13H2;2H,1,3-6H2/b10-6-;.
What are the key properties of (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one?
(Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 350.85 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(1-aminoethenyl)-1-(3-chlorophenyl)ethene-1,2-diamine;1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 171499135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).